CID 11723125

1h,1h,2h,2h-perfluoroheptan-1-ol

Structural Information

Molecular Formula
C7H5F11O
SMILES
C(CO)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C7H5F11O/c8-3(9,1-2-19)4(10,11)5(12,13)6(14,15)7(16,17)18/h19H,1-2H2
InChIKey
NPOAVCPGPRUNOX-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

50
Patents

314.01648 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.02376 156.4
[M+Na]+ 337.00570 165.2
[M-H]- 313.00920 142.8
[M+NH4]+ 332.05030 169.5
[M+K]+ 352.97964 162.2
[M+H-H2O]+ 297.01374 144.6
[M+HCOO]- 359.01468 159.1
[M+CH3COO]- 373.03033 203.8
[M+Na-2H]- 334.99115 160.1
[M]+ 314.01593 139.2
[M]- 314.01703 139.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe